SCHEMBL7410329

SCHEMBL7410329

Nc1cc([N+](=O)[O-])c(N)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ATM Q13315 1/20 0.55
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9941834 0.80 KMT2A (0.57) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL15609263 0.78 KMT2A (0.71) POLBATMKMT2AALDH1A1TSHR
SCHEMBL9941840 0.78 MAPT (0.67) POLBKMT2AALDH1A1TSHRUSP2
SCHEMBL9941647 0.75 ALDH1A1 (0.55) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL15609099 0.75 KMT2A (0.54) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL9941200 0.74 POLB (0.59) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL9941608 0.74 CYP19A1 (0.70) KMT2AALDH1A1TSHRUSP2LMNA
SCHEMBL13063891 0.73 KMT2A (0.71) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL15609891 0.73 ALDH1A1 (0.73) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL9942828 0.73 POLB (0.55) POLBKMT2AALDH1A1TSHRL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed